3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one

C11H12N2O2 — CID 117206915

IUPAC3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CC1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGIHGZWMIEGYUOK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds2

About 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one

3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206915) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206915
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CC1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGIHGZWMIEGYUOK-UHFFFAOYSA-N
XLogP1.67
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one (CID 117206915) is 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is GIHGZWMIEGYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).